Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5562347436-0
Structure
Show compound
In order to add this molecule to a collection you have to create an account.
Sign up for free
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 5 USD | 99 | 14 working days | Get Quote |
| 5 mg | 5 USD | 99 | 14 working days | Get Quote |
| 10 mg | 5 USD | 99 | 14 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
| Name | File |
|---|---|
| SDF | MCULE-5562347436-0.sdf |
| SMILES | MCULE-5562347436-0.smiles |
| Standard InChI | MCULE-5562347436-0.inchi |
| InChIKey | MCULE-5562347436-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867565994 | 98 | As is | in stock |
| P-875725449 | 98 | As is | in stock |
| P-1275182215 | 99 | As is | in stock |
| P-1275182216 | 98 | As is | in stock |
| P-1275176682 | 98 | As is | in stock |
| P-1275155437 | 95 | As is | in stock |
| P-1275181808 | 99 | As is | in stock |
| P-903054715 | 99 | As is | 2 kg |
| P-1270295299 | 98 | As is | in stock |
| P-606945919 | N/A | As is | in stock |
| P-596947101 | 99 | As is | 2 kg |
| P-494426754 | 95 | As is | by resynthesis (? - ? days) |
| P-864151384 | 98 | As is | in stock |
| P-580701225 | 98 | As is | 2.575 kg |
| P-901481676 | 95 | As is | by synthesis |
| P-868608481 | 98 | As is | in stock |
| P-580303780 | 95 | As is | by resynthesis (? - ? days) |
| P-905359111 | 98 | As is | 1.625 kg |
| P-870656391 | 98 | As is | in stock |
| P-590335364 | 90 | As is | 105.91 g |
| P-502796467 | 90 | As is | in stock |
| P-524162938 | 98 | As is | 500 g |
| P-856005617 | 98 | As is | 100 mg |
| P-579615889 | 99 | As is | in stock |
| P-31163198 | 90 | As is | unavailable |
| P-856045500 | 90 | As is | unavailable |
| P-613281217 | 95 | As is | by synthesis |
| P-1272589133 | 95 | As is | 5 kg |
| P-852468076 | 95 | As is | by synthesis |
| P-904639612 | 95 | As is | in stock |
| P-1263157386 | 95 | As is | by synthesis |
| P-872683323 | 95 | As is | in stock |
| P-881190238 | 90 | As is | 50 mg |
| P-500405332 | 98 | As is | by synthesis |
| P-859991396 | 95 | As is | by synthesis |
| P-18831511 | 90 | As is | in stock |
| P-896081559 | N/A | As is | 7.423 g |
| P-22854915 | 90 | As is | in stock |
| P-502365475 | 90 | As is | in stock |
| P-907294119 | 94 | As is | by resynthesis (? - ? days) |
| P-907295948 | 94 | As is | by resynthesis (? - ? days) |
| P-906778945 | 99 | As is | by synthesis |
| P-611378171 | 90 | As is | in stock |
| P-1263286 | 90 | As is | 235 mg |
| P-666971909 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 260.328 |
| logP | 3.9708 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 20.23 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 81.4268 |
| Atoms | 36 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 16 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
